Geometry & MOs

Info

ID:	57742
PubChem CID:	24276921
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	293.156184
ΔH_f, kcal/mol:	1.32
Dipole, Da:	3.89
IP(EA), eV:	-8.63(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanethioamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(C(=S)N)N2CCNCC2

DOS

IR

Vibrations